(E)-3-hydroxy-N,2-dimethylbut-2-enamide

C6H11NO2 — CID 59909362

IUPAC(E)-3-hydroxy-N,2-dimethylbut-2-enamide
SMILESCNC(=O)/C(C)=C(\C)O
InChIInChI=1S/C6H11NO2/c1-4(5(2)8)6(9)7-3/h8H,1-3H3,(H,7,9)/b5-4+
InChIKeyIFBPMEIPSPCRDQ-SNAWJCMRSA-N
MW129.16 g/mol
LogP0.58
Rot. Bonds1

About (E)-3-hydroxy-N,2-dimethylbut-2-enamide

(E)-3-hydroxy-N,2-dimethylbut-2-enamide (PubChem CID 59909362) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (E)-3-hydroxy-N,2-dimethylbut-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-N,2-dimethylbut-2-enamide
PubChem CID59909362
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(E)-3-hydroxy-N,2-dimethylbut-2-enamide
SMILESCNC(=O)/C(C)=C(\C)O
InChIInChI=1S/C6H11NO2/c1-4(5(2)8)6(9)7-3/h8H,1-3H3,(H,7,9)/b5-4+
InChIKeyIFBPMEIPSPCRDQ-SNAWJCMRSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-N,2-dimethylbut-2-enamide?
The IUPAC name of (E)-3-hydroxy-N,2-dimethylbut-2-enamide (CID 59909362) is (E)-3-hydroxy-N,2-dimethylbut-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-N,2-dimethylbut-2-enamide?
The canonical SMILES for (E)-3-hydroxy-N,2-dimethylbut-2-enamide is CNC(=O)/C(C)=C(\C)O.
What is the InChIKey of (E)-3-hydroxy-N,2-dimethylbut-2-enamide?
The InChIKey is IFBPMEIPSPCRDQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(5(2)8)6(9)7-3/h8H,1-3H3,(H,7,9)/b5-4+.
What are the key properties of (E)-3-hydroxy-N,2-dimethylbut-2-enamide?
(E)-3-hydroxy-N,2-dimethylbut-2-enamide has a molecular weight of 129.16 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 59909362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).